(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol

C15H13F3O2 — CID 144733925

IUPAC(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(O)c(F)c2F)CC1=C
InChIInChI=1S/C15H13F3O2/c1-4-7(2)11(16)14-8(3)5-9-6-10(19)12(17)13(18)15(9)20-14/h6,19H,2-5H2,1H3/b14-11-
InChIKeyIUJDWSJYAUWEFX-KAMYIIQDSA-N
MW282.26 g/mol
LogP4.31
Rot. Bonds2

About (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol

(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol (PubChem CID 144733925) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol.

Molecular Properties

Compound Name(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
PubChem CID144733925
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(O)c(F)c2F)CC1=C
InChIInChI=1S/C15H13F3O2/c1-4-7(2)11(16)14-8(3)5-9-6-10(19)12(17)13(18)15(9)20-14/h6,19H,2-5H2,1H3/b14-11-
InChIKeyIUJDWSJYAUWEFX-KAMYIIQDSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-6-[difluoro-(4-propylphenyl)methoxy]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144734014
(2Z)-6-[2-(6-ethenyloxan-3-yl)ethyl]-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
CID 144733911
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohex-3-en-1-yl)ethenyl]-4H-chromene
CID 144733999
(2Z)-2-[(4E)-1,5-difluoro-6-methoxy-2,3-dimethylidenehepta-4,6-dienylidene]-7,8-difluoro-3-methylidene-6-propyl-4H-chromene
CID 144733915
(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoctylidene)-3-methylidene-4H-chromene
CID 144733796
(2Z)-6-ethoxy-7,8-difluoro-2-(1-fluoro-3,6-dimethyl-2-methylideneoct-7-enylidene)-3-methylidene-4H-chromene
CID 144734079
(2Z)-6-(4-but-3-enylphenyl)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-4H-chromene
CID 144733777
6-[2-(2,3-difluoro-4-propylphenyl)ethyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891250
3,4,5,6-tetrafluoro-7-pentyl-9,10-dihydrophenanthren-2-ol
CID 139776693
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
2-ethyl-1,3-dihydroisoindole-5,6-diol
CID 22365543
6-[4-(2,2-difluoroethenyl)cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 118891244

Frequently Asked Questions

What is the IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol?
The IUPAC name of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol (CID 144733925) is (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol.
What is the SMILES notation for (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol?
The canonical SMILES for (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol is C=C(CC)/C(F)=C1/Oc2c(cc(O)c(F)c2F)CC1=C.
What is the InChIKey of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol?
The InChIKey is IUJDWSJYAUWEFX-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-4-7(2)11(16)14-8(3)5-9-6-10(19)12(17)13(18)15(9)20-14/h6,19H,2-5H2,1H3/b14-11-.
What are the key properties of (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol?
(2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol has a molecular weight of 282.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromen-6-ol is sourced from PubChem (CID 144733925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).